2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide

C19H14N2O2 — CID 951909

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1
InChIInChI=1S/C19H14N2O2/c22-17(20-14-8-2-1-3-9-14)12-21-16-11-5-7-13-6-4-10-15(18(13)16)19(21)23/h1-11H,12H2,(H,20,22)
InChIKeyHSTUJGJRASAMHF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide (PubChem CID 951909) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide
PubChem CID951909
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1
InChIInChI=1S/C19H14N2O2/c22-17(20-14-8-2-1-3-9-14)12-21-16-11-5-7-13-6-4-10-15(18(13)16)19(21)23/h1-11H,12H2,(H,20,22)
InChIKeyHSTUJGJRASAMHF-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide (CID 951909) is 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide is O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide?
The InChIKey is HSTUJGJRASAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-17(20-14-8-2-1-3-9-14)12-21-16-11-5-7-13-6-4-10-15(18(13)16)19(21)23/h1-11H,12H2,(H,20,22).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide has a molecular weight of 302.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 951909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).